3-Chloro-5-iodobenzotrifluoride - CAS 1189352-83-7
Catalog: |
BB004346 |
Product Name: |
3-Chloro-5-iodobenzotrifluoride |
CAS: |
1189352-83-7 |
Synonyms: |
1-chloro-3-iodo-5-(trifluoromethyl)benzene; 1-chloro-3-iodo-5-(trifluoromethyl)benzene |
IUPAC Name: | 1-chloro-3-iodo-5-(trifluoromethyl)benzene |
Description: | 1-Chloro-3-iodo-5-(trifluoromethyl)benzene has been used in the research of Bruton's tyrosine kinase inhibitors through the synthesis of pyrimidinyl bipiperidine. |
Molecular Weight: | 306.45 |
Molecular Formula: | C7H3ClF3I |
Canonical SMILES: | C1=C(C=C(C=C1Cl)I)C(F)(F)F |
InChI: | InChI=1S/C7H3ClF3I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H |
InChI Key: | LJWHHSGVKPUZEL-UHFFFAOYSA-N |
MDL: | MFCD19707625 |
LogP: | 3.96340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-202003490-A | Therapeutic compounds and methods of use thereof | 20180522 |
WO-2019226687-A1 | Pyrididne-sulfonamide derivatives as sodium channel inhibitors | 20180522 |
CN-112368274-A | Pyridine-sulfonamide derivatives as sodium channel inhibitors | 20180522 |
EP-3797101-A1 | Pyrididne-sulfonamide derivatives as sodium channel inhibitors | 20180522 |
JP-2021524466-A | Pyridine-sulfonamide derivative as a sodium channel inhibitor | 20180522 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.89201 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.89201 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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